種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C1N(C=CC=C1NC(=O)c1cn2cc(nc2nc1OC(C)C)C12CC(C)(C1)OC2)C1CC1 |
InChI | InChI | 1.06 | InChI=1S/C24H27N5O4/c1-14(2)33-20-16(19(30)25-17-5-4-8-29(21(17)31)15-6-7-15)9-28-10-18(26-22(28)27-20)24-11-23(3,12-24)32-13-24/h4-5,8-10,14-15H,6-7,11-13H2,1-3H3,(H,25,30)/t23-,24- |
InChIKey | InChI | 1.06 | JJZLDWBCAMPSMG-RQNOJGIXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1nc2nc(cn2cc1C(=O)NC3=CC=CN(C4CC4)C3=O)C56COC(C)(C5)C6 |
SMILES | CACTVS | 3.385 | CC(C)Oc1nc2nc(cn2cc1C(=O)NC3=CC=CN(C4CC4)C3=O)C56COC(C)(C5)C6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1c(cn2cc(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)C6CC6 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1c(cn2cc(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)C6CC6 |